HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3599",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3597",
"results": [
{
"id": "jvasp-56706",
"created_at": "2022-09-04T14:38:33.629077Z",
"updated_at": "2022-09-04T14:38:33.629098Z",
"structure_string": "Tb2 Mo2 Cl2 O8\n1.0\n6.114687 0.002204 1.510404\n1.780334 5.849772 1.510404\n0.012631 0.009363 6.866626\nTb Mo Cl O\n2 2 2 8\ndirect\n0.221773 0.221772 0.890793 Tb\n0.778227 0.778227 0.109208 Tb\n0.362515 0.362514 0.269681 Mo\n0.637485 0.637484 0.730318 Mo\n0.009247 0.009247 0.238323 Cl\n0.990753 0.990752 0.761676 Cl\n0.294499 0.294498 0.535222 O\n0.509995 0.888366 0.846687 O\n0.705501 0.705500 0.464778 O\n0.458477 0.458477 0.797477 O\n0.111633 0.490004 0.153312 O\n0.888367 0.509994 0.846687 O\n0.490005 0.111633 0.153312 O\n0.541523 0.541522 0.202523 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tb",
"density": 4.794757615444146,
"density_atomic": 0.05704596052248157,
"volume": 245.41614992147709,
"volume_molar": 10.556647140031414,
"formula_full": "Tb2 Mo2 Cl2 O8",
"formula_reduced": "TbMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4124674810714293,
"spacegroup": 12
},
{
"id": "jvasp-53524",
"created_at": "2022-09-04T14:38:33.610836Z",
"updated_at": "2022-09-04T14:38:33.610860Z",
"structure_string": "Cd2 In4 O8\n1.0\n5.718877 -0.017216 3.220858\n1.890061 5.397547 3.220858\n-0.000000 -0.000000 6.441715\nCd In O\n2 4 8\ndirect\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625001 Cd\n0.009399 0.009399 0.990602 In\n0.240601 0.240601 0.259399 In\n0.125000 0.625000 0.625001 In\n0.625000 0.125000 0.625001 In\n0.373243 0.373243 0.394448 O\n0.373243 0.373243 0.859067 O\n0.362777 0.853887 0.391669 O\n0.853887 0.362777 0.391669 O\n0.396113 0.887223 0.858333 O\n0.887223 0.396113 0.858333 O\n0.876757 0.876757 0.390934 O\n0.876757 0.876757 0.855553 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"In",
"O"
],
"chemical_system": "Cd-In-O",
"density": 6.774645402492447,
"density_atomic": 0.07033342583276977,
"volume": 199.0518709167884,
"volume_molar": 8.562274180016072,
"formula_full": "Cd2 In4 O8",
"formula_reduced": "CdIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8852162414285711,
"spacegroup": 74
},
{
"id": "jvasp-21076",
"created_at": "2022-09-04T14:38:31.265475Z",
"updated_at": "2022-09-04T14:38:31.265500Z",
"structure_string": "Li2 Ti4 O8\n1.0\n5.160405 -0.000000 2.979361\n1.720135 4.865277 2.979361\n0.000000 0.000000 5.958722\nLi Ti O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.875001 0.875001 0.874998 Li\n0.500001 0.500000 0.499999 Ti\n0.500000 0.000000 0.499999 Ti\n0.000000 0.500000 0.499999 Ti\n0.500001 0.500000 -0.000001 Ti\n0.261918 0.261918 0.714248 O\n0.738084 0.738083 0.738081 O\n0.738084 0.738083 0.285750 O\n0.261918 0.714249 0.261917 O\n0.261918 0.261918 0.261917 O\n0.285752 0.738083 0.738081 O\n0.738083 0.285752 0.738081 O\n0.714249 0.261918 0.261917 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.699975261639829,
"density_atomic": 0.09358011028368843,
"volume": 149.6044400627329,
"volume_molar": 6.435278545562577,
"formula_full": "Li2 Ti4 O8",
"formula_reduced": "LiTi2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4940058095238093,
"spacegroup": 227
},
{
"id": "jvasp-59592",
"created_at": "2022-09-04T14:38:33.606800Z",
"updated_at": "2022-09-04T14:38:33.606823Z",
"structure_string": "Cr4 Ni2 O8\n1.0\n5.090526 0.000000 2.939016\n1.696842 4.799394 2.939016\n0.000000 0.000000 5.878033\nCr Ni O\n4 2 8\ndirect\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n1.000000 0.500001 0.000001 Cr\n0.000000 0.000000 0.500000 Cr\n0.625001 0.624998 0.625002 Ni\n0.375000 0.375001 0.375000 Ni\n0.761920 0.761918 0.761920 O\n0.238079 0.238081 0.785760 O\n0.238080 0.785758 0.238082 O\n0.785759 0.238081 0.238081 O\n0.761920 0.214241 0.761920 O\n0.214241 0.761918 0.761921 O\n0.238079 0.238081 0.238080 O\n0.761920 0.761918 0.214243 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Ni-O",
"density": 5.242245357869466,
"density_atomic": 0.0974870551417987,
"volume": 143.6088102121503,
"volume_molar": 6.177374781954962,
"formula_full": "Cr4 Ni2 O8",
"formula_reduced": "Cr2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.049320171428572,
"spacegroup": 227
},
{
"id": "jvasp-119679",
"created_at": "2022-09-04T14:38:36.767030Z",
"updated_at": "2022-09-04T14:38:36.767049Z",
"structure_string": "Y2 Mg2 Mn2 S8\n1.0\n6.695308 0.146806 3.884893\n2.382997 6.210728 3.725835\n-0.045317 0.031503 7.445500\nY Mg Mn S\n2 2 2 8\ndirect\n0.499998 0.500010 0.499990 Y\n-0.000000 0.499987 0.500011 Y\n0.872688 0.877342 0.877383 Mg\n0.127314 0.122655 0.122616 Mg\n0.499988 0.499998 0.000003 Mn\n0.500004 -0.000002 0.500003 Mn\n0.715223 0.766717 0.748047 S\n0.278860 0.234481 0.726406 S\n0.260316 0.726369 0.234402 S\n0.729739 0.251795 0.233410 S\n0.739671 0.273632 0.765599 S\n0.270260 0.748219 0.766583 S\n0.284783 0.233277 0.251953 S\n0.721160 0.765519 0.273594 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Y",
"density": 3.2005216756157706,
"density_atomic": 0.0455175086086905,
"volume": 307.5739518249254,
"volume_molar": 13.230383085708285,
"formula_full": "Y2 Mg2 Mn2 S8",
"formula_reduced": "YMgMnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0589302487684726,
"spacegroup": 15
},
{
"id": "jvasp-9806",
"created_at": "2022-09-04T14:38:33.199081Z",
"updated_at": "2022-09-04T14:38:33.199101Z",
"structure_string": "Zn2 Bi4 O8\n1.0\n6.024820 -0.000000 -3.163107\n-1.660672 5.791427 -3.163107\n-0.278494 -0.369574 6.788887\nZn Bi O\n2 4 8\ndirect\n0.375001 0.625001 0.750001 Zn\n0.625000 0.375000 0.250000 Zn\n0.000000 0.000000 0.500001 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.748795 0.746401 0.497589 O\n0.748813 0.251205 0.002411 O\n0.253600 0.251205 0.002411 O\n0.251206 0.253601 0.502412 O\n0.251206 0.748814 0.502412 O\n0.251188 0.748796 0.997590 O\n0.748795 0.251187 0.497589 O\n0.746401 0.748796 0.997589 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zn",
"density": 8.159335868119307,
"density_atomic": 0.06283835753835229,
"volume": 222.7938563075164,
"volume_molar": 9.583542593907698,
"formula_full": "Zn2 Bi4 O8",
"formula_reduced": "Zn(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4328389999999998,
"spacegroup": 227
},
{
"id": "jvasp-9827",
"created_at": "2022-09-04T14:38:33.205044Z",
"updated_at": "2022-09-04T14:38:33.205071Z",
"structure_string": "Ca2 Mo4 O8\n1.0\n5.228810 -0.000000 -2.745193\n-1.441260 5.026256 -2.745193\n0.134031 0.177864 6.607584\nCa Mo O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 -0.000000 0.499999 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 -0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.791567 0.791951 0.583136 O\n0.708816 0.208432 0.916864 O\n0.208049 0.208432 0.916864 O\n0.208433 0.208049 0.416864 O\n0.208433 0.708816 0.416865 O\n0.291184 0.791568 0.083136 O\n0.791567 0.291184 0.583136 O\n0.791951 0.791568 0.083137 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"O"
],
"chemical_system": "Ca-Mo-O",
"density": 5.498315910330019,
"density_atomic": 0.07831628344413254,
"volume": 178.76231333151804,
"volume_molar": 7.689512953325902,
"formula_full": "Ca2 Mo4 O8",
"formula_reduced": "Ca(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1662751742857145,
"spacegroup": 141
},
{
"id": "jvasp-9917",
"created_at": "2022-09-04T14:38:32.920480Z",
"updated_at": "2022-09-04T14:38:32.920506Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n3.332910 -0.000000 0.000000\n-1.666456 5.589285 -0.000000\n-0.000000 0.000000 11.150973\nCa Sb O\n2 4 8\ndirect\n0.383412 0.766826 0.750000 Ca\n0.616586 0.233174 0.250000 Ca\n0.868216 0.736435 0.078479 Sb\n0.131783 0.263565 0.921521 Sb\n0.868216 0.736435 0.421521 Sb\n0.131783 0.263565 0.578479 Sb\n0.228919 0.457840 0.376854 O\n0.771079 0.542160 0.623146 O\n0.771079 0.542160 0.876854 O\n0.228919 0.457840 0.123146 O\n0.965432 0.930868 0.250000 O\n0.034566 0.069131 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.557260534773063,
"density_atomic": 0.06739620304276901,
"volume": 207.72683575535743,
"volume_molar": 8.935430318201167,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.776452374285714,
"spacegroup": 63
},
{
"id": "jvasp-30935",
"created_at": "2022-09-04T14:38:31.726175Z",
"updated_at": "2022-09-04T14:38:31.726192Z",
"structure_string": "Sr8 Bi6\n1.0\n8.283417 0.000000 -2.928630\n-4.141708 7.173649 -2.928630\n-0.000000 -0.000000 8.785890\nSr Bi\n8 6\ndirect\n0.645881 0.645881 0.645881 Sr\n0.354120 0.500000 0.000000 Sr\n0.500000 0.000000 0.354120 Sr\n-0.000000 0.354120 0.500000 Sr\n0.500000 0.000000 0.854120 Sr\n-0.000000 0.854120 0.500000 Sr\n0.145880 0.145880 0.145880 Sr\n0.854120 0.500000 0.000000 Sr\n0.750000 0.875000 0.125000 Bi\n0.625000 0.375000 0.250000 Bi\n0.875000 0.125000 0.750000 Bi\n0.125000 0.750000 0.875000 Bi\n0.375000 0.250000 0.625000 Bi\n0.250000 0.625000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 6.217638067424463,
"density_atomic": 0.026815915344165765,
"volume": 522.0780204710009,
"volume_molar": 22.457338049846634,
"formula_full": "Sr8 Bi6",
"formula_reduced": "Sr4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.2312591857142857,
"spacegroup": 220
},
{
"id": "jvasp-120425",
"created_at": "2022-09-04T14:38:37.278035Z",
"updated_at": "2022-09-04T14:38:37.278055Z",
"structure_string": "Li2 Mn2 Cr2 O8\n1.0\n4.963384 -0.081594 -2.779526\n-1.675530 4.643472 -2.828139\n-0.001638 0.081594 5.688668\nLi Mn Cr O\n2 2 2 8\ndirect\n0.874300 0.124301 0.749999 Li\n0.125699 0.875698 0.250000 Li\n0.499999 0.500000 0.499999 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.499999 0.500000 Cr\n0.715826 0.742629 0.973197 O\n0.269431 0.742629 0.526801 O\n0.256359 0.281461 0.525103 O\n0.256358 0.731255 0.974896 O\n0.743640 0.718539 0.474896 O\n0.743640 0.268745 0.025103 O\n0.730567 0.257370 0.473197 O\n0.284173 0.257370 0.026802 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.48083157040099,
"density_atomic": 0.10619355378864952,
"volume": 131.83474420550363,
"volume_molar": 5.670909904743838,
"formula_full": "Li2 Mn2 Cr2 O8",
"formula_reduced": "LiMnCrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.8804483773399023,
"spacegroup": 74
},
{
"id": "jvasp-9292",
"created_at": "2022-09-04T14:38:31.285182Z",
"updated_at": "2022-09-04T14:38:31.285211Z",
"structure_string": "Ba1 Mg1 Bi4 O8\n1.0\n3.115152 -5.395602 -0.000000\n3.115152 5.395602 -0.000000\n-0.000000 -0.000000 7.441064\nBa Mg Bi O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.715929 Bi\n0.666667 0.333333 0.715929 Bi\n0.333333 0.666667 0.284070 Bi\n0.666667 0.333333 0.284070 Bi\n0.726139 -0.000000 0.690490 O\n-0.000000 0.726139 0.690490 O\n0.273860 0.273860 0.690490 O\n0.273860 -0.000000 0.309509 O\n0.726139 0.726139 0.309509 O\n-0.000000 0.273860 0.309509 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Mg-O",
"density": 7.47186887607297,
"density_atomic": 0.05596852360247199,
"volume": 250.14059865930884,
"volume_molar": 10.759870677978752,
"formula_full": "Ba1 Mg1 Bi4 O8",
"formula_reduced": "BaMg(BiO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.8086921585714288,
"spacegroup": 162
},
{
"id": "jvasp-38155",
"created_at": "2022-09-04T14:38:31.057035Z",
"updated_at": "2022-09-04T14:38:31.057055Z",
"structure_string": "Rb4 Mg2 H8\n1.0\n0.000000 5.186242 4.051227\n0.000000 -5.186242 4.051227\n8.768813 0.000000 0.000000\nRb Mg H\n4 2 8\ndirect\n0.500000 0.999999 0.500001 Rb\n0.499999 0.000000 0.999999 Rb\n0.090358 0.409642 0.250000 Rb\n0.909642 0.590358 0.750000 Rb\n0.743738 0.756261 0.250000 Mg\n0.256261 0.243737 0.750000 Mg\n0.786000 0.047895 0.249999 H\n0.547894 0.286000 0.749999 H\n0.162631 0.337369 0.927730 H\n0.162631 0.337369 0.572269 H\n0.837368 0.662632 0.072269 H\n0.837369 0.662631 0.427731 H\n0.452107 0.714001 0.249999 H\n0.214000 0.952107 0.749999 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 1.7960399670517304,
"density_atomic": 0.037994249915725115,
"volume": 368.476809808151,
"volume_molar": 15.850137253288814,
"formula_full": "Rb4 Mg2 H8",
"formula_reduced": "Rb2MgH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2010555785714283,
"spacegroup": 63
}
]
}